ChemSpider 2D Image | (3S,8S,9S,10R,14S,17R)-10,13-Dimethyl-17-[(2S)-1-(2-naphthylamino)-2-propanyl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (non-preferred name) | C32H43NO

(3S,8S,9S,10R,14S,17R)-10,13-Dimethyl-17-[(2S)-1-(2-naphthylamino)-2-propanyl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (non-preferred name)

  • Molecular FormulaC32H43NO
  • Average mass457.690 Da
  • Monoisotopic mass457.334473 Da
  • ChemSpider ID58818043

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S,8S,9S,10R,14S,17R)-10,13-Dimethyl-17-[(2S)-1-(2-naphthylamino)-2-propanyl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (non-preferred name) [German] [ACD/IUPAC Name]
(3S,8S,9S,10R,14S,17R)-10,13-Dimethyl-17-[(2S)-1-(2-naphthylamino)-2-propanyl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (non-preferred name) [ACD/IUPAC Name]
(3S,8S,9S,10R,14S,17R)-10,13-Diméthyl-17-[(2S)-1-(2-naphtylamino)-2-propanyl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-3-ol (non-preferred name) [French] [ACD/IUPAC Name]
67675-20-1 [RN]
N-(2-Naphthyl)-23,24-dinor-5-cholen-22-amin-3β-ol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 614.6±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 52.0±14.7 °C
Index of Refraction: 1.615
Molar Refractivity: 142.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.92
ACD/LogD (pH 5.5): 7.72
ACD/BCF (pH 5.5): 421337.38
ACD/KOC (pH 5.5): 359254.16
ACD/LogD (pH 7.4): 7.76
ACD/BCF (pH 7.4): 464801.81
ACD/KOC (pH 7.4): 396314.19
Polar Surface Area: 32 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 409.0±5.0 cm3

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